2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine

C14H17N3O3S2 — CID 118541925

IUPAC2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine
SMILESCOc1ccccc1N1C(c2cccs2)NCN1S(C)(=O)=O
InChIInChI=1S/C14H17N3O3S2/c1-20-12-7-4-3-6-11(12)17-14(13-8-5-9-21-13)15-10-16(17)22(2,18)19/h3-9,14-15H,10H2,1-2H3
InChIKeyMZCNOFPMHNWOAZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.00
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine

2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine (PubChem CID 118541925) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine
PubChem CID118541925
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine
SMILESCOc1ccccc1N1C(c2cccs2)NCN1S(C)(=O)=O
InChIInChI=1S/C14H17N3O3S2/c1-20-12-7-4-3-6-11(12)17-14(13-8-5-9-21-13)15-10-16(17)22(2,18)19/h3-9,14-15H,10H2,1-2H3
InChIKeyMZCNOFPMHNWOAZ-UHFFFAOYSA-N
XLogP2.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine?
The IUPAC name of 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine (CID 118541925) is 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine is COc1ccccc1N1C(c2cccs2)NCN1S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine?
The InChIKey is MZCNOFPMHNWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-20-12-7-4-3-6-11(12)17-14(13-8-5-9-21-13)15-10-16(17)22(2,18)19/h3-9,14-15H,10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine?
2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine has a molecular weight of 339.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-methylsulfonyl-3-thiophen-2-yl-1,2,4-triazolidine is sourced from PubChem (CID 118541925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).